SCHEMBL28526358

SCHEMBL28526358

O=C(O)c1cc(C(=O)OCCO)cc(-n2cncn2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
PPARD Q03181 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC7A5 Q01650 1/20 0.33
SERPINE1 P05121 1/20 0.33
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28526357 0.93 POLB (0.43) MAPTPOLBKDM4ESMN1; SMN2HSP90AA1
Ethylene Glycol SCHEMBL28526361 0.86 SMN1; SMN2 (0.40) MAPTPOLBKDM4ESMN1; SMN2HSP90AA1
SCHEMBL28265833 0.83 KDM4E (0.44) MAPTPOLBKDM4ESMN1; SMN2HSP90AA1
Ethylene SCHEMBL28529930 0.80 KDM4E (0.42) MAPTPOLBKDM4ESMN1; SMN2HSP90AA1
SCHEMBL27534692 0.78 SERPINE1 (0.48) POLBCYP2C19CYP2C9SLC7A5SERPINE1
Ethylene Glycol SCHEMBL27557803 0.77 SERPINE1 (0.47) POLBCYP2C19CYP2C9SLC7A5SERPINE1
SCHEMBL29761880 0.76 KDM4E (0.41) POLBKDM4ESMN1; SMN2CYP2C19CYP2C9
SCHEMBL2568215 0.74 LMNA (0.46) POLBCYP2C19CYP2C9CYP1A2CYP3A4
SCHEMBL31133412 0.74 POLB (0.43) MAPTPOLBKDM4ESMN1; SMN2CYP2C19
SCHEMBL21819396 0.74 POLB (0.43) MAPTPOLBKDM4ESMN1; SMN2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112316921-A Polyester fiber film for wastewater treatment and preparation method thereof 邓颖菁 2021-02-05 CN disclosed
CN-112176446-A Antibacterial polyester fiber and preparation method thereof 邓颖菁 2021-01-05 CN disclosed